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4-Chloro-2-hydroxybenzaldehyde
4-Chloro-2-hydroxybenzaldehyde ID: API-45702
CAS:2420-26-0
Supplier:APIchem

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SMILES:Clc1cc(O)c(cc1)C=O	ChemMol.com
FORMULA: C7H5ClO2
MASS: 156.5664
EXACT MASS: 155.9978071
INTERATOMIC DISTANCES

             Cl   1      O   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    3.4641     0.0000 
   O   3    4.5826     3.0000     0.0000 
   C   4    3.0000     1.7321     1.7320     0.0000 
   C   5    2.6457     1.0001     2.6457     1.0000     0.0000 
   C   6    2.6457     2.6458     2.0000     1.0000     1.7320     0.0000 
   C   7    1.7320     1.7321     3.4641     1.7320     1.0000     2.0000 
   C   8    1.7320     3.0000     3.0000     1.7320     2.0000     1.0000 
   C   9    1.0000     2.6458     3.6055     2.0000     1.7320     1.7320 
   C  10    4.0000     2.0000     1.0000     1.0000     1.7320     1.7320 
   H  11    3.1408     3.1409     1.7733     1.4158     2.2901     0.6201 
   H  12    1.8397     1.8397     4.0130     2.2901     1.4158     2.6200 
   H  13    1.8397     3.6201     3.3533     2.2901     2.6200     1.4158 
   H  14    4.3433     1.7732     1.4158     1.4158     1.8397     2.2901 
   H  15    3.5192     0.6200     3.6200     2.2901     1.4158     3.1408 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     1.0000     0.0000 
   C  10    2.6457     2.6457     3.0000     0.0000 
   H  11    2.6200     1.4158     2.2901     1.8397     0.0000 
   H  12    0.6201     2.2901     1.4158     3.1408     3.2401     0.0000 
   H  13    2.2901     0.6201     1.4158     3.1408     1.6200     2.8060 
   H  14    2.8292     3.1408     3.3533     0.6201     2.4523     3.2380 
   H  15    1.8397     3.3533     2.8292     2.6200     3.6740     1.7320 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    3.6740     0.0000 
   H  15    3.9666     2.3715     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0834225086
   O   2   -0.5060295028
   O   3   -0.2955760763
   C   4    0.0556359790
   C   5    0.1284167866
   C   6   -0.0466460062
   C   7   -0.0011580237
   C   8   -0.0425057814
   C   9    0.0444644116
   C  10    0.1536924388
   H  11    0.0625992997
   H  12    0.0668781491
   H  13    0.0632285098
   H  14    0.1082605550
   H  15    0.2921617695


BOND ANGLES
   5    2   15  Car   O3   HO    120.000
   5    4    6  Car  Car  Car    119.999
   5    4   10  Car  Car   C2    120.001
   6    4   10  Car  Car   C2    120.001
   2    5    4   O3  Car  Car    120.001
   2    5    7   O3  Car  Car    119.998
   4    5    7  Car  Car  Car    120.001
   4    6    8  Car  Car  Car    120.001
   4    6   11  Car  Car   HC    120.002
   8    6   11  Car  Car   HC    119.997
   5    7    9  Car  Car  Car    120.001
   5    7   12  Car  Car   HC    119.997
   9    7   12  Car  Car   HC    120.002
   6    8    9  Car  Car  Car    120.001
   6    8   13  Car  Car   HC    119.997
   9    8   13  Car  Car   HC    120.002
   1    9    7   Cl  Car  Car    120.001
   1    9    8   Cl  Car  Car    120.001
   7    9    8  Car  Car  Car    119.999
   3   10    4   O2   C2  Car    120.001
   3   10   14   O2   C2   HC    120.002
   4   10   14  Car   C2   HC    119.997


TORSION ANGLES
  15    2    5    4    179.974
  15    2    5    7      0.026
   6    4    5    2    179.974
   6    4    5    7      0.026
  10    4    5    2      0.026
  10    4    5    7    179.974
   5    4    6    8      0.026
   5    4    6   11    179.974
  10    4    6    8    179.974
  10    4    6   11      0.026
   5    4   10    3    179.974
   5    4   10   14      0.026
   6    4   10    3      0.026
   6    4   10   14    179.974
   2    5    7    9    179.974
   2    5    7   12      0.026
   4    5    7    9      0.026
   4    5    7   12    179.974
   4    6    8    9      0.026
   4    6    8   13    179.974
  11    6    8    9    179.974
  11    6    8   13      0.026
   5    7    9    1    179.974
   5    7    9    8      0.026
  12    7    9    1      0.026
  12    7    9    8    179.974
   6    8    9    1    179.974
   6    8    9    7      0.026
  13    8    9    1      0.026
  13    8    9    7    179.974